SCHEMBL7989836

SCHEMBL7989836

O=C(NCC1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41
KDM1A O60341 6/20 0.41
HDAC6 Q9UBN7 5/20 0.41
LTA4H P09960 1/20 0.40
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
CCR3 P51677 3/20 0.39
CACNA1I Q9P0X4 2/20 0.39
HDAC3 O15379 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7986552 0.99 KCNH2 (0.41) KCNH2KDM1AHDAC6LTA4HARG1
SCHEMBL7986176 0.92 KCNH2 (0.46) KCNH2LTA4HCCR3CACNA1IMAOB
Hydrochloric Acid SCHEMBL7971933 0.92 KCNH2 (0.46) KCNH2LTA4HCCR3CACNA1IMAOB
SCHEMBL7989275 0.91 CCR3 (0.47) KDM1AHDAC6LTA4HCCR3
SCHEMBL7983788 0.91 LTA4H (0.44) KDM1AHDAC6LTA4HCCR3CHRM4
Hydrochloric Acid SCHEMBL7986155 0.91 CCR3 (0.47) KDM1AHDAC6LTA4HCCR3
SCHEMBL7990607 0.91 GRIN2B (0.41) KCNH2KDM1AHDAC6LTA4HCCR3
SCHEMBL7982426 0.90 LTA4H (0.47) KCNH2KDM1AHDAC6LTA4HHDAC3
Hydrochloric Acid SCHEMBL7983277 0.90 LTA4H (0.44) KDM1AHDAC6LTA4HCCR3CHRM4
SCHEMBL7972913 0.90 LTA4H (0.42) KCNH2KDM1AHDAC6LTA4HCCR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed